1-cyclohexyl-N3-(2,3-dihydro-1H-inden-2-yl)-N5-methyl-4-oxo-1,4-dihydropyridine-3,5-dicarboxamide

• ChemBase ID: 854133
• Molecular Formular: C23H27N3O3
• Molecular Mass: 393.47878
• Monoisotopic Mass: 393.20524174
• SMILES: c1(c(=O)c(cn(c1)C1CCCCC1)C(=O)NC)C(=O)NC1Cc2c(C1)cccc2
• Canonical SMILES: CNC(=O)c1cn(cc(c1=O)C(=O)NC1Cc2c(C1)cccc2)C1CCCCC1
• InChI: InChI=1S/C23H27N3O3/c1-24-22(28)19-13-26(18-9-3-2-4-10-18)14-20(21(19)27)23(29)25-17-11-15-7-5-6-8-16(15)12-17/h5-8,13-14,17-18H,2-4,9-12H2,1H3,(H,24,28)(H,25,29)
• InChIKey: HILWYIAQFFIJQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexyl-N3-(2,3-dihydro-1H-inden-2-yl)-N5-methyl-4-oxo-1,4-dihydropyridine-3,5-dicarboxamide
• IUPAC Traditional name: 1-cyclohexyl-N3-(2,3-dihydro-1H-inden-2-yl)-N5-methyl-4-oxopyridine-3,5-dicarboxamide
• Synonyms: 1-cyclohexyl-N-(2,3-dihydro-1H-inden-2-yl)-N'-methyl-4-oxo-1,4-dihydro-3,5-pyridinedicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.973417
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.5768127
• LogD (pH = 7.4): 2.576813
• Log P: 2.576813
• Molar Refractivity: 111.8591 cm^3
• Polarizability: 42.591137 Å^3
• Polar Surface Area: 78.51 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.34
• LOG S: -6.76
• Polar Surface Area: 80.2 Å^2
• Rotatable Bonds: 4